2-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

Formula:C22H17N7Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	2-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C22H17N7Cl2
Smiles	Clc1cc(Cl)c(/C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1
InChI	InChI=1S/C22H17Cl2N7/c23-16-12-11-15(19(24)13-16)14-25-31-22-29-20(26-17-7-3-1-4-8-17)28-21(30-22)27-18-9-5-2-6-10-18/h1-14H,(H3,26,27,28,29,30,31)
InChIK	QYVKJFGEPKOHJB-UHFFFAOYSA-N
TotalMolweight	450.332
Molweight	450.332
MonoisotopicMass	449.092247
CLogP	8.5353
CLogS	-7.963
H Acceptors	7
H Donors	3
TotalSurfaceArea	338.8
Relative PSA	0.23259
PolarSurfaceArea	87.12
Druglikeness	2.5311
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Symmetricatoms	11
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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1 - 2-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine | 2 - 2-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

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